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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O6
Molecular Weight 390.47
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOQUASSIN, .BETA.-

SMILES

[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]4([H])C(=O)C(OC)=C(C)[C@]([H])(C[C@@H](O)O1)[C@]24C

InChI

InChIKey=BDQNCUODBJZKIY-XESZMDDISA-N
InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16+,19+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O6
Molecular Weight 390.47
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:18:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:04 GMT 2023
Record UNII
FH9R6T61EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOQUASSIN, .BETA.-
Common Name English
.BETA.-NEOQUASSIN
Common Name English
PICRASA-2,12-DIENE-1,11-DIONE, 16-HYDROXY-2,12-DIMETHOXY-, (16.BETA.)-
Common Name English
Code System Code Type Description
CAS
88980-56-7
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY
FDA UNII
FH9R6T61EG
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY
PUBCHEM
5320109
Created by admin on Sat Dec 16 08:18:04 GMT 2023 , Edited by admin on Sat Dec 16 08:18:04 GMT 2023
PRIMARY